12-Hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6,8-dioxa-24-azahexacyclo[13.10.0.02,12.05,11.017,25.018,23]pentacosa-10,17(25),18,20,22-pentaen-9-one
| Internal ID | 14a3cfd7-1ffe-424e-a122-ca08e3071e37 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles > 3-alkylindoles |
| IUPAC Name | 12-hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6,8-dioxa-24-azahexacyclo[13.10.0.02,12.05,11.017,25.018,23]pentacosa-10,17(25),18,20,22-pentaen-9-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H33NO5/c1-24(2,30)23-32-20-10-11-25(3)26(4)15(9-12-27(25,31)18(20)14-21(29)33-23)13-17-16-7-5-6-8-19(16)28-22(17)26/h5-8,14-15,20,23,28,30-31H,9-13H2,1-4H3 |
| InChI Key | LZJSYSGVWJELTF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H33NO5 |
| Molecular Weight | 451.60 g/mol |
| Exact Mass | 451.23587315 g/mol |
| Topological Polar Surface Area (TPSA) | 91.80 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of 12-Hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6,8-dioxa-24-azahexacyclo[13.10.0.02,12.05,11.017,25.018,23]pentacosa-10,17(25),18,20,22-pentaen-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/a1159410-8523-11ee-be8b-fd08658ba68d.jpg "2D Structure of 12-Hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6,8-dioxa-24-azahexacyclo[13.10.0.02,12.05,11.017,25.018,23]pentacosa-10,17(25),18,20,22-pentaen-9-one")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.97% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.32% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.49% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.29% | 97.25% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.78% | 91.49% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 94.29% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.06% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.04% | 98.95% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 91.20% | 94.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.69% | 97.09% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 88.96% | 88.56% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 88.61% | 95.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.30% | 94.45% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.00% | 93.99% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.38% | 95.89% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 85.95% | 97.05% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.32% | 94.75% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.27% | 97.14% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 83.09% | 95.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.99% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.73% | 96.09% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 82.05% | 92.51% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.82% | 93.04% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.44% | 98.75% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.41% | 94.73% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.23% | 100.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 162814090 |
| LOTUS | LTS0051964 |
| wikiData | Q105159922 |